bis(4-benzamido-2,5-diethoxybenzene-1-diazonium) dichlorozinc dichloride

• ChemBase ID: 103254
• Molecular Formular: C34H36Cl4N6O6Zn
• Molecular Mass: 831.87824
• Monoisotopic Mass: 828.07418562
• SMILES: [Cl-].[Cl-].CCOc1cc([N+]#N)c(OCC)cc1NC(=O)c1ccccc1.CCOc1cc([N+]#N)c(OCC)cc1NC(=O)c1ccccc1.Cl[Zn]Cl
• Canonical SMILES: CCOc1cc([N+]#N)c(cc1NC(=O)c1ccccc1)OCC.CCOc1cc([N+]#N)c(cc1NC(=O)c1ccccc1)OCC.Cl[Zn]Cl.[Cl-].[Cl-]
• InChI: InChI=1S/2C17H17N3O3.4ClH.Zn/c2*1-3-22-15-11-14(20-18)16(23-4-2)10-13(15)19-17(21)12-8-6-5-7-9-12;;;;;/h2*5-11H,3-4H2,1-2H3;4*1H;/q;;;;;;+2/p-2
• InChIKey: CMFRFQODFZBKTI-UHFFFAOYSA-L

NAMES AND DATABASE IDS

Names

• IUPAC name: bis(4-benzamido-2,5-diethoxybenzene-1-diazonium) dichlorozinc dichloride
• IUPAC Traditional name: bis(4-benzamido-2,5-diethoxybenzenediazonium) zinc chloride dichloride
• Synonyms: 4-Amino-2,5-diethoxybenzanilide diazotated zinc double salt; 4-Benzoylamino-2,5-diethoxybenzenediazonium chloride hemi(zinc chloride) salt; Fast Blue BB Salt hemi(zinc chloride) salt; Diazotized 4'-amino-2',5'-diethoxybenzanilide zinc chloride salt; FAST BLUE BB SALT

Database IDs

• CAS Number: 15518-68-0; 5486-84-0
• EC Number: 239-549-8; 226-817-4
• MDL Number: MFCD00074765
• Beilstein Number: 1845288
• PubChem SID: 162090714; 24894840; 24868291
• PubChem CID: 16212913
• Color Index Number: 37175

CALCULATED PROPERTIES

• Acid pKa: 7.4771132
• H Acceptors: 4
• H Donor: 1
• LogD (pH = 5.5): 3.5157652
• LogD (pH = 7.4): 4.7642384
• Log P: 3.2998974
• Molar Refractivity: 109.6612 cm^3
• Polarizability: 32.983402 Å^3
• Polar Surface Area: 75.71 Å^2
• Rotatable Bonds: 12
• Lipinski's Rule of Five: false

PROPERTIES

Physical Property

• Melting Point: 157°C

Safety Information

• Storage Condition: -20°C, Protect from light
• European Hazard Symbols: Harmful (Xn)
• German water hazard class: 3
• Risk Statements: 22-40
• Safety Statements: 36/37
• GHS Pictograms: GHS07; GHS08
• GHS Signal Word: Warning
• GHS Hazard statements: H302-H351
• GHS Precautionary statements: P281
• Personal Protective Equipment: dust mask type N95 (US), Eyeshields, Gloves; Eyeshields, full-face particle respirator type N100 (US), Gloves, respirator cartridge type N100 (US), type P1 (EN143) respirator filter, type P3 (EN 143) respirator cartridges
• Storage Temperature: -20°C

Product Information

• Grade: for microscopy (Hist.)
• Compostion: Dye content, ≥80%
• Linear Formula: C17H18N3O3Cl · 1/2 ZnCl2

DETAILS

Sigma Aldrich - F3378

包装
1, 5 g in glass bottle
25 g in poly bottle
Preparation Note
Purified